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	hartrees
Energy at 0K	-672.609976
Energy at 298.15K	-672.610826
HF Energy	-671.771583
Nuclear repulsion energy	152.029533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1964	1880	393.94
2	A'	1166	1116	403.92
3	A'	790	756	84.26
4	A'	517	495	0.65
5	A'	418	400	0.47
6	A"	692	662	16.85

Atom	x (Å)	y (Å)
C1	0.000	0.504
O2	-0.803	1.355
Cl3	-0.311	-1.195
F4	1.301	0.717

	C1	O2	Cl3	F4
C1		1.1708	1.7270	1.3184
O2	1.1708		2.5976	2.1990
Cl3	1.7270	2.5976		2.5009
F4	1.3184	2.1990	2.5009

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	126.307		O2	C1	F4	124.005
Cl3	C1	F4	109.688

All results from a given calculation for COFCl (Carbonic chloride fluoride)

using model chemistry: CCD/aug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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